3-cyclopentyl-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-1-one

C21H25FN2O — CID 3624003

IUPAC3-cyclopentyl-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCn2cccc2C1c1ccc(F)cc1
InChIInChI=1S/C21H25FN2O/c22-18-10-8-17(9-11-18)21-19-6-3-13-23(19)14-15-24(21)20(25)12-7-16-4-1-2-5-16/h3,6,8-11,13,16,21H,1-2,4-5,7,12,14-15H2
InChIKeyYBGIBRSVSJQCGZ-UHFFFAOYSA-N
MW340.44 g/mol
LogP4.53
Rot. Bonds4

About 3-cyclopentyl-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-1-one

3-cyclopentyl-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-1-one (PubChem CID 3624003) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is 3-cyclopentyl-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-1-one
PubChem CID3624003
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC Name3-cyclopentyl-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCn2cccc2C1c1ccc(F)cc1
InChIInChI=1S/C21H25FN2O/c22-18-10-8-17(9-11-18)21-19-6-3-13-23(19)14-15-24(21)20(25)12-7-16-4-1-2-5-16/h3,6,8-11,13,16,21H,1-2,4-5,7,12,14-15H2
InChIKeyYBGIBRSVSJQCGZ-UHFFFAOYSA-N
XLogP4.53
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(tert-butylamino)-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone
CID 42812378
4-[(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(furan-2-ylmethyl)-4-oxobutanamide
CID 93304883
3-cyclopentyl-1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 4603126
1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 110647019
N-[2-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-(2-methylpropyl)ethanesulfonamide
CID 42813046
[(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone
CID 93115122
1-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenylpropan-1-one
CID 4104891
1-(4-fluorophenyl)-N-(2-phenylethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 16812963
N-(4-tert-butylphenyl)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 43994443
1-(4-ethoxyphenyl)-N-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 16810903
N,1-bis(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
CID 5121845
3-(2,4-difluorophenyl)-1-[2-[(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-1-(2-methoxyethyl)urea
CID 92933344

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-1-one (CID 3624003) is 3-cyclopentyl-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-1-one is O=C(CCC1CCCC1)N1CCn2cccc2C1c1ccc(F)cc1.
What is the InChIKey of 3-cyclopentyl-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-1-one?
The InChIKey is YBGIBRSVSJQCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O/c22-18-10-8-17(9-11-18)21-19-6-3-13-23(19)14-15-24(21)20(25)12-7-16-4-1-2-5-16/h3,6,8-11,13,16,21H,1-2,4-5,7,12,14-15H2.
What are the key properties of 3-cyclopentyl-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-1-one?
3-cyclopentyl-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-1-one has a molecular weight of 340.44 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-1-one is sourced from PubChem (CID 3624003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).